5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C8H15FN2 — CID 80601626

IUPAC5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESFCCN1CC2CNCC2C1
InChIInChI=1S/C8H15FN2/c9-1-2-11-5-7-3-10-4-8(7)6-11/h7-8,10H,1-6H2
InChIKeyMWLFIQGDYBJJHC-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.11
Rot. Bonds2

About 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 80601626) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID80601626
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESFCCN1CC2CNCC2C1
InChIInChI=1S/C8H15FN2/c9-1-2-11-5-7-3-10-4-8(7)6-11/h7-8,10H,1-6H2
InChIKeyMWLFIQGDYBJJHC-UHFFFAOYSA-N
XLogP0.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 80601626) is 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is FCCN1CC2CNCC2C1.
What is the InChIKey of 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is MWLFIQGDYBJJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-1-2-11-5-7-3-10-4-8(7)6-11/h7-8,10H,1-6H2.
What are the key properties of 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 158.22 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 80601626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).